# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CuPd2Zr # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.930519022e+02 2.930519022e+02 1.30 2.720965649e+02 2.720965649e+02 1.32 2.526673455e+02 2.526673455e+02 1.34 2.346460095e+02 2.346460095e+02 1.36 2.179211510e+02 2.179211510e+02 1.38 2.023884289e+02 2.023884289e+02 1.40 1.879514989e+02 1.879514989e+02 1.42 1.745227640e+02 1.745227640e+02 1.44 1.620238135e+02 1.620238135e+02 1.46 1.503849796e+02 1.503849796e+02 1.48 1.395438553e+02 1.395438553e+02 1.50 1.294435639e+02 1.294435639e+02 1.52 1.200314591e+02 1.200314591e+02 1.54 1.112581545e+02 1.112581545e+02 1.56 1.030769879e+02 1.030769879e+02 1.58 9.544375720e+01 9.544375720e+01 1.60 8.831695053e+01 8.831695053e+01 1.62 8.165830840e+01 8.165830840e+01 1.64 7.543344283e+01 7.543344283e+01 1.66 6.961192799e+01 6.961192799e+01 1.68 6.416683075e+01 6.416683075e+01 1.70 5.907388426e+01 5.907388426e+01 1.72 5.431058432e+01 5.431058432e+01 1.74 4.985554256e+01 4.985554256e+01 1.76 4.568868229e+01 4.568868229e+01 1.78 4.179082040e+01 4.179082040e+01 1.80 3.814559285e+01 3.814559285e+01 1.82 3.475924188e+01 3.475924188e+01 1.84 3.162024958e+01 3.162024958e+01 1.86 2.871097432e+01 2.871097432e+01 1.88 2.601500185e+01 2.601500185e+01 1.90 2.351689541e+01 2.351689541e+01 1.92 2.120213313e+01 2.120213313e+01 1.94 1.905716978e+01 1.905716978e+01 1.96 1.706960998e+01 1.706960998e+01 1.98 1.522826114e+01 1.522826114e+01 2.00 1.352304317e+01 1.352304317e+01 2.02 1.194479097e+01 1.194479097e+01 2.04 1.048504426e+01 1.048504426e+01 2.06 9.135886349e+00 9.135886349e+00 2.08 7.889841038e+00 7.889841038e+00 2.10 6.739839290e+00 6.739839290e+00 2.12 5.679191596e+00 5.679191596e+00 2.14 4.701588961e+00 4.701588961e+00 2.16 3.801105359e+00 3.801105359e+00 2.18 2.972198507e+00 2.972198507e+00 2.20 2.209717960e+00 2.209717960e+00 2.22 1.508894798e+00 1.508894798e+00 2.24 8.653320349e-01 8.653320349e-01 2.26 2.749942968e-01 2.749942968e-01 2.28 -2.658181561e-01 -2.658181561e-01 2.30 -7.604769183e-01 -7.604769183e-01 2.32 -1.212079213e+00 -1.212079213e+00 2.34 -1.623492070e+00 -1.623492070e+00 2.36 -1.997405676e+00 -1.997405676e+00 2.38 -2.336376822e+00 -2.336376822e+00 2.40 -2.642861265e+00 -2.642861265e+00 2.42 -2.919239603e+00 -2.919239603e+00 2.44 -3.167825192e+00 -3.167825192e+00 2.46 -3.390868067e+00 -3.390868067e+00 2.48 -3.590551818e+00 -3.590551818e+00 2.50 -3.769003959e+00 -3.769003959e+00 2.52 -3.928076093e+00 -3.928076093e+00 2.54 -4.069438461e+00 -4.069438461e+00 2.56 -4.194581862e+00 -4.194581862e+00 2.58 -4.304810161e+00 -4.304810161e+00 2.60 -4.401253133e+00 -4.401253133e+00 2.62 -4.484893467e+00 -4.484893467e+00 2.64 -4.556572393e+00 -4.556572393e+00 2.66 -4.616919363e+00 -4.616919363e+00 2.68 -4.666525392e+00 -4.666525392e+00 2.70 -4.705988839e+00 -4.705988839e+00 2.72 -4.735911692e+00 -4.735911692e+00 2.74 -4.756889883e+00 -4.756889883e+00 2.76 -4.769500776e+00 -4.769500776e+00 2.78 -4.774289848e+00 -4.774289848e+00 2.80 -4.771771895e+00 -4.771771895e+00 2.82 -4.762418851e+00 -4.762418851e+00 2.84 -4.746808210e+00 -4.746808210e+00 2.86 -4.725895764e+00 -4.725895764e+00 2.88 -4.699995438e+00 -4.699995438e+00 2.90 -4.669141254e+00 -4.669141254e+00 2.92 -4.633456819e+00 -4.633456819e+00 2.94 -4.593142006e+00 -4.593142006e+00 2.96 -4.548455017e+00 -4.548455017e+00 2.98 -4.499691861e+00 -4.499691861e+00 3.00 -4.447166158e+00 -4.447166158e+00 3.02 -4.391200177e+00 -4.391200177e+00 3.04 -4.332146578e+00 -4.332146578e+00 3.06 -4.270385837e+00 -4.270385837e+00 3.08 -4.206255142e+00 -4.206255142e+00 3.10 -4.140057569e+00 -4.140057569e+00 3.12 -4.072062832e+00 -4.072062832e+00 3.14 -4.002523178e+00 -4.002523178e+00 3.16 -3.931662054e+00 -3.931662054e+00 3.18 -3.859689720e+00 -3.859689720e+00 3.20 -3.786803431e+00 -3.786803431e+00 3.22 -3.713190570e+00 -3.713190570e+00 3.24 -3.639031902e+00 -3.639031902e+00 3.26 -3.564504781e+00 -3.564504781e+00 3.28 -3.489785566e+00 -3.489785566e+00 3.30 -3.415050197e+00 -3.415050197e+00 3.32 -3.340472182e+00 -3.340472182e+00 3.34 -3.266218102e+00 -3.266218102e+00 3.36 -3.192441745e+00 -3.192441745e+00 3.38 -3.119278574e+00 -3.119278574e+00 3.40 -3.046841022e+00 -3.046841022e+00 3.42 -2.975221981e+00 -2.975221981e+00 3.44 -2.904489215e+00 -2.904489215e+00 3.46 -2.834693518e+00 -2.834693518e+00 3.48 -2.765871018e+00 -2.765871018e+00 3.50 -2.698046503e+00 -2.698046503e+00 3.52 -2.631235963e+00 -2.631235963e+00 3.54 -2.565448228e+00 -2.565448228e+00 3.56 -2.500685859e+00 -2.500685859e+00 3.58 -2.436945553e+00 -2.436945553e+00 3.60 -2.374218337e+00 -2.374218337e+00 3.62 -2.312489816e+00 -2.312489816e+00 3.64 -2.251740667e+00 -2.251740667e+00 3.66 -2.191947534e+00 -2.191947534e+00 3.68 -2.133084419e+00 -2.133084419e+00 3.70 -2.075124603e+00 -2.075124603e+00 3.72 -2.018043056e+00 -2.018043056e+00 3.74 -1.961819211e+00 -1.961819211e+00 3.76 -1.906439842e+00 -1.906439842e+00 3.78 -1.851901718e+00 -1.851901718e+00 3.80 -1.798213573e+00 -1.798213573e+00 3.82 -1.745396968e+00 -1.745396968e+00 3.84 -1.693485642e+00 -1.693485642e+00 3.86 -1.642523203e+00 -1.642523203e+00 3.88 -1.592559288e+00 -1.592559288e+00 3.90 -1.543644675e+00 -1.543644675e+00 3.92 -1.495824818e+00 -1.495824818e+00 3.94 -1.449140803e+00 -1.449140803e+00 3.96 -1.403617502e+00 -1.403617502e+00 3.98 -1.359268399e+00 -1.359268399e+00 4.00 -1.316094524e+00 -1.316094524e+00 4.02 -1.274086526e+00 -1.274086526e+00 4.04 -1.233227658e+00 -1.233227658e+00 4.06 -1.193496955e+00 -1.193496955e+00 4.08 -1.154872027e+00 -1.154872027e+00 4.10 -1.117327180e+00 -1.117327180e+00 4.12 -1.080850542e+00 -1.080850542e+00 4.14 -1.045418606e+00 -1.045418606e+00 4.16 -1.011013453e+00 -1.011013453e+00 4.18 -9.776167964e-01 -9.776167964e-01 4.20 -9.452087206e-01 -9.452087206e-01 4.22 -9.137666410e-01 -9.137666410e-01 4.24 -8.832647111e-01 -8.832647111e-01 4.26 -8.536737884e-01 -8.536737884e-01 4.28 -8.249619458e-01 -8.249619458e-01 4.30 -7.970954135e-01 -7.970954135e-01 4.32 -7.700397750e-01 -7.700397750e-01 4.34 -7.437612144e-01 -7.437612144e-01 4.36 -7.182276240e-01 -7.182276240e-01 4.38 -6.934094220e-01 -6.934094220e-01 4.40 -6.692799874e-01 -6.692799874e-01 4.42 -6.458156847e-01 -6.458156847e-01 4.44 -6.229955182e-01 -6.229955182e-01 4.46 -6.008005129e-01 -6.008005129e-01 4.48 -5.792129611e-01 -5.792129611e-01 4.50 -5.582156897e-01 -5.582156897e-01 4.52 -5.377914999e-01 -5.377914999e-01 4.54 -5.179228929e-01 -5.179228929e-01 4.56 -4.985921478e-01 -4.985921478e-01 4.58 -4.797817553e-01 -4.797817553e-01 4.60 -4.614751533e-01 -4.614751533e-01 4.62 -4.436576623e-01 -4.436576623e-01 4.64 -4.263174841e-01 -4.263174841e-01 4.66 -4.094466194e-01 -4.094466194e-01 4.68 -3.930415598e-01 -3.930415598e-01 4.70 -3.771036374e-01 -3.771036374e-01 4.72 -3.616389481e-01 -3.616389481e-01 4.74 -3.466578172e-01 -3.466578172e-01 4.76 -3.321738281e-01 -3.321738281e-01 4.78 -3.182024907e-01 -3.182024907e-01 4.80 -3.047565297e-01 -3.047565297e-01 4.82 -2.918573532e-01 -2.918573532e-01 4.84 -2.795129323e-01 -2.795129323e-01 4.86 -2.677308658e-01 -2.677308658e-01 4.88 -2.565136313e-01 -2.565136313e-01 4.90 -2.458580518e-01 -2.458580518e-01 4.92 -2.357551964e-01 -2.357551964e-01 4.94 -2.261906784e-01 -2.261906784e-01 4.96 -2.171452690e-01 -2.171452690e-01 4.98 -2.085957323e-01 -2.085957323e-01 5.00 -2.005157776e-01 -2.005157776e-01 5.02 -1.928770339e-01 -1.928770339e-01 5.04 -1.856498157e-01 -1.856498157e-01 5.06 -1.788042050e-01 -1.788042050e-01 5.08 -1.723108755e-01 -1.723108755e-01 5.10 -1.661413117e-01 -1.661413117e-01 5.12 -1.602682503e-01 -1.602682503e-01 5.14 -1.546659884e-01 -1.546659884e-01 5.16 -1.493105796e-01 -1.493105796e-01 5.18 -1.441799424e-01 -1.441799424e-01 5.20 -1.392539049e-01 -1.392539049e-01 5.22 -1.345142077e-01 -1.345142077e-01 5.24 -1.299444808e-01 -1.299444808e-01 5.26 -1.255302082e-01 -1.255302082e-01 5.28 -1.212586884e-01 -1.212586884e-01 5.30 -1.171189956e-01 -1.171189956e-01 5.32 -1.131019407e-01 -1.131019407e-01 5.34 -1.092000281e-01 -1.092000281e-01 5.36 -1.054074029e-01 -1.054074029e-01 5.38 -1.017197777e-01 -1.017197777e-01 5.40 -9.813432961e-02 -9.813432961e-02 5.42 -9.464956056e-02 -9.464956056e-02 5.44 -9.126511292e-02 -9.126511292e-02 5.46 -8.798154206e-02 -8.798154206e-02 5.48 -8.480005024e-02 -8.480005024e-02 5.50 -8.172219396e-02 -8.172219396e-02 5.52 -7.874958342e-02 -7.874958342e-02 5.54 -7.588359385e-02 -7.588359385e-02 5.56 -7.312511052e-02 -7.312511052e-02 5.58 -7.047432569e-02 -7.047432569e-02 5.60 -6.793053651e-02 -6.793053651e-02 5.62 -6.549213446e-02 -6.549213446e-02 5.64 -6.315676011e-02 -6.315676011e-02 5.66 -6.092118497e-02 -6.092118497e-02 5.68 -5.878141581e-02 -5.878141581e-02 5.70 -5.673283235e-02 -5.673283235e-02 5.72 -5.477033808e-02 -5.477033808e-02 5.74 -5.288851056e-02 -5.288851056e-02 5.76 -5.108174067e-02 -5.108174067e-02 5.78 -4.934435414e-02 -4.934435414e-02 5.80 -4.767071186e-02 -4.767071186e-02 5.82 -4.605528830e-02 -4.605528830e-02 5.84 -4.449272961e-02 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